CHEBI:23925 - (+)-5-epi-aristolochene

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ChEBI Name (+)-5-epi-aristolochene
ChEBI ID CHEBI:23925
ChEBI ASCII Name (+)-5-epi-aristolochene
Definition A sesquiterpene that is 1,2,3,4,4a,5,6,7-octahydronaphthalene substituted by methyl groups at positions 4 and 4a and a prop-1-en-2-yl group at position 6 (the 4R,4aR,6R-stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H24
Net Charge 0
Average Mass 204.35106
Monoisotopic Mass 204.188
InChI InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15-/m1/s1
InChIKey YONHOSLUBQJXPR-UMVBOHGHSA-N
SMILES C[C@@H]1CCCC2=CC[C@H](C[C@]12C)C(C)=C
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (+)-5-epi-aristolochene (CHEBI:23925) has role plant metabolite (CHEBI:76924)
(+)-5-epi-aristolochene (CHEBI:23925) is a carbobicyclic compound (CHEBI:36785)
(+)-5-epi-aristolochene (CHEBI:23925) is a sesquiterpene (CHEBI:35189)
Incoming 1-deoxycapsidiol (CHEBI:72638) has functional parent (+)-5-epi-aristolochene (CHEBI:23925)
3-deoxycapsidiol (CHEBI:72642) has functional parent (+)-5-epi-aristolochene (CHEBI:23925)
capsidiol (CHEBI:28283) has functional parent (+)-5-epi-aristolochene (CHEBI:23925)
IUPAC Names
(4R,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
H-eremophila-9,11-diene
Synonyms Sources
(+)-5-epi-aristolochene UniProt
epi-aristolochene ChEBI
Registry Numbers Types Sources
3588800 Beilstein Registry Number Beilstein
6500129 Reaxys Registry Number Reaxys
6500129 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
25286411 PubMed citation Europe PMC
Last Modified
26 May 2015